SCHEMBL687472

SCHEMBL687472

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)cn(Cc3ccc(Cl)cc3)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
CTSA P10619 5/20 0.40
CYP26A1 O43174 3/20 0.40
MEN1 O00255 1/20 0.39
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
CNR2 P34972 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
UTS2R Q9UKP6 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL687304 0.96 KEAP1 (0.41) KMT2ACTSACYP26A1MEN1KEAP1
SCHEMBL688301 0.90 PTGER4 (0.42) CTSAALDH1A1MAPT
SCHEMBL687670 0.89 ITGB1 (0.38) KMT2ACTSACYP26A1MEN1KEAP1
SCHEMBL686979 0.89 KMT2A (0.38) KMT2ACTSACYP26A1MEN1KEAP1
SCHEMBL688008 0.89 CTSA (0.41) KMT2ACTSACYP26A1MEN1ALDH1A1
SCHEMBL688232 0.88 CTSA (0.42) CTSACYP26A1
SCHEMBL688046 0.87 CTSA (0.42) KMT2ACTSACYP26A1MEN1KEAP1
SCHEMBL29371834 0.86 PTGER3 (0.44) CTSACNR2
SCHEMBL686896 0.86 PTGER3 (0.44) CTSACNR2
SCHEMBL687408 0.86 KMT2A (0.43) KMT2ACTSACYP26A1MEN1KEAP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed